2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid

C13H16N2O4 — CID 82902984

IUPAC2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CC(=O)N2CCCCC2)c(=O)c1
InChIInChI=1S/C13H16N2O4/c16-11-8-10(13(18)19)4-7-15(11)9-12(17)14-5-2-1-3-6-14/h4,7-8H,1-3,5-6,9H2,(H,18,19)
InChIKeyLZULDCKOLJAEJY-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.56
Rot. Bonds3

About 2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid

2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid (PubChem CID 82902984) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid
PubChem CID82902984
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CC(=O)N2CCCCC2)c(=O)c1
InChIInChI=1S/C13H16N2O4/c16-11-8-10(13(18)19)4-7-15(11)9-12(17)14-5-2-1-3-6-14/h4,7-8H,1-3,5-6,9H2,(H,18,19)
InChIKeyLZULDCKOLJAEJY-UHFFFAOYSA-N
XLogP0.56
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid
CID 46868566
1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid
CID 82903725
4-(azocane-1-carbonyl)-1-ethylpyridin-2-one
CID 74249419
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82903265
2-oxo-1-prop-2-ynylpyridine-4-carboxylic acid
CID 82902412
3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one
CID 114760810
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid
CID 59842863
1-(azepan-1-yl)-2-(6-bromoindol-1-yl)ethanone
CID 116622080
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
CID 156525912
5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 122117300
1-[2-(azepan-1-yl)-2-oxoethyl]-6-fluoroquinolin-4-one
CID 100743617
5,7-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-4-one
CID 100744816

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid (CID 82902984) is 2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid is O=C(O)c1ccn(CC(=O)N2CCCCC2)c(=O)c1.
What is the InChIKey of 2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid?
The InChIKey is LZULDCKOLJAEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-8-10(13(18)19)4-7-15(11)9-12(17)14-5-2-1-3-6-14/h4,7-8H,1-3,5-6,9H2,(H,18,19).
What are the key properties of 2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid?
2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 82902984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).